#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:35:58 +0300 (Thu, 24 May 2018) $
#$Revision: 759 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000263.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Raman Open Database (ROD),
# http://solsa.crystallography.net/rod/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1000263
loop_
_publ_author_name
'Berry, L. G.'
_publ_section_title
;
 The crystal structure of covellite, CuS and klockmannite, CuSe
;
_journal_name_full               'American Mineralogist'
_journal_page_first              504
_journal_page_last               509
_journal_volume                  39
_journal_year                    1954
_chemical_compound_source        R070658
_chemical_formula_sum            'Cu Se'
_chemical_name_mineral           Klockmannite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.938
_cell_length_b                   3.938
_cell_length_c                   17.25
_cell_volume                     231.671
_exptl_crystal_density_diffrn    6.129
_cod_database_code               9000063
_raman_determination_method      experimental
_raman_measurement_device.location 'Arizona University'
_raman_measurement_device.company 'Thermo Scientific'
_raman_measurement_device.model  'Nicolet Almega XR'
_raman_measurement_device.optics_type microscope
_raman_measurement_device.microscope_system dispersive
_raman_measurement_device.microscope_objective_magnification 50
_raman_measurement_device.microscope_numerical_aperture 0.5
_raman_measurement_device.excitation_laser_type other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1
_raman_measurement_device.diffraction_grating 400
_raman_measurement.environment   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature   300
_raman_measurement.pressure      100
_raman_measurement.background_subtraction no
_raman_measurement.background_subtraction_details
;
 No background subtraction method was applied.
;
_raman_measurement.baseline_correction no
_raman_measurement.baseline_correction_details
;
 No baseline correction method was applied.
;
_raman_measurement.integration_time 10
_rod_data_source.file            R070658.rod
_rod_data_source.block           3500000
_rod_database.code               1000263
loop_
_raman_complementary.id
_raman_complementary.method
1 XRD
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 neon_lamp
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 9000063 COD http://www.crystallography.net/cod/9000063.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
131.2005 0.0000000E+00
131.6827 12.01807
132.1648 21.57617
132.6469 23.89258
133.1290 16.05518
133.6111 17.01318
134.0932 20.08105
134.5754 24.55469
135.0575 21.52979
135.5396 9.162109
136.0217 1.105957
136.5038 14.00537
136.9859 59.50244
137.4681 102.4629
137.9502 122.3638
138.4323 127.0854
138.9144 144.1938
139.3965 178.6738
139.8786 211.0811
140.3608 214.5669
140.8429 180.4360
141.3250 137.3477
141.8071 91.21436
142.2892 34.44629
142.7713 4.921387
143.2535 2.529297
143.7356 20.31689
144.2177 50.53760
144.6998 107.2231
145.1819 158.4722
145.6640 176.3555
146.1461 147.2397
146.6283 133.5298
147.1104 156.9839
147.5925 222.1387
148.0746 238.4082
148.5567 208.6245
149.0388 167.7461
149.5210 145.7715
150.0031 154.2290
150.4852 156.3169
150.9673 154.9355
151.4494 160.7676
151.9315 160.7734
152.4137 158.9761
152.8958 155.4458
153.3779 148.4751
153.8600 117.4971
154.3421 99.81787
154.8242 111.9136
155.3064 193.3843
155.7885 240.4824
156.2706 222.1421
156.7527 154.1831
157.2348 94.43408
157.7169 48.79102
158.1991 19.37500
158.6812 7.500977
159.1633 33.07520
159.6454 57.09424
160.1275 71.58398
160.6096 76.21191
161.0918 73.87891
161.5739 63.38184
162.0560 47.47559
162.5381 28.74854
163.0202 9.139160
163.5023 35.14990
163.9845 27.77100
164.4666 18.77930
164.9487 58.17480
165.4308 66.47998
165.9129 54.27100
166.3951 39.10352
166.8772 24.14453
167.3593 10.55859
167.8414 1.758301
168.3235 18.07324
168.8056 25.71533
169.2878 5.669922
169.7699 29.94629
170.2520 54.51270
170.7341 43.06055
171.2162 20.94336
171.6983 13.16016
172.1805 49.72119
172.6626 95.09082
173.1447 117.0669
173.6268 123.0249
174.1089 122.9917
174.5910 121.0220
175.0732 119.6270
175.5553 124.7661
176.0374 124.0264
176.5195 118.5347
177.0016 109.1685
177.4837 95.90186
177.9659 88.27490
178.4480 106.4492
178.9301 139.2212
179.4122 156.2305
179.8943 123.0337
180.3764 69.47412
180.8586 49.11084
181.3407 67.78857
181.8228 105.8643
182.3049 151.6123
182.7870 201.5854
183.2691 235.7339
183.7513 229.3423
184.2334 197.4297
184.7155 181.4731
185.1976 190.7002
185.6797 213.4312
186.1618 238.1562
186.6440 264.5317
187.1261 276.5898
187.6082 250.2427
188.0903 194.8418
188.5724 154.3345
189.0545 148.4038
189.5366 161.5752
190.0188 172.2578
190.5009 180.4678
190.9830 185.3823
191.4651 182.9238
191.9472 174.0635
192.4293 170.7788
192.9115 183.1646
193.3936 205.2061
193.8757 206.9185
194.3578 185.4429
194.8399 154.1768
195.3220 127.9858
195.8042 106.6235
196.2863 90.68213
196.7684 80.79004
197.2505 77.07812
197.7326 77.78027
198.2147 83.60498
198.6969 92.88721
199.1790 105.6128
199.6611 123.1416
200.1432 133.1348
200.6253 123.9272
201.1074 94.34521
201.5896 77.03955
202.0717 78.91992
202.5538 90.34570
203.0359 81.75000
203.5180 47.09131
204.0001 13.54883
204.4823 3.377930
204.9644 21.12158
205.4465 30.74219
205.9286 24.79688
206.4107 7.118652
206.8928 3.887695
207.3750 7.648926
207.8571 5.614746
208.3392 5.336426
208.8213 30.91553
209.3034 40.56641
209.7855 19.00781
210.2677 30.85352
210.7498 40.24023
211.2319 10.56519
211.7140 70.62280
212.1961 75.63940
212.6782 2.041260
213.1604 53.77222
213.6425 59.80225
214.1246 10.58276
214.6067 20.14893
215.0888 27.92993
215.5709 21.57764
216.0531 13.56104
216.5352 3.151123
217.0173 5.019775
217.4994 8.495117
217.9815 4.412354
218.4636 10.51978
218.9458 34.83154
219.4279 64.58496
219.9100 71.76416
220.3921 47.19482
220.8742 18.53101
221.3563 4.509521
221.8385 27.47534
222.3206 38.83862
222.8027 29.88916
223.2848 7.752441
223.7669 2.116211
224.2490 4.425781
224.7312 16.47754
225.2133 27.69141
225.6954 36.05859
226.1775 47.63892
226.6596 67.73633
227.1417 94.60962
227.6239 109.0601
228.1060 107.2163
228.5881 94.77686
229.0702 71.72974
229.5523 23.25122
230.0344 0.3129880
230.5165 15.14307
230.9987 66.94678
231.4808 104.6265
231.9629 124.9983
232.4450 134.8748
232.9271 139.0830
233.4092 134.8035
233.8914 130.3557
234.3735 127.1121
234.8556 125.1021
235.3377 122.7900
235.8198 113.9854
236.3019 110.4219
236.7841 126.5798
237.2662 174.0137
237.7483 220.3787
238.2304 258.3418
238.7125 286.3730
239.1946 315.6155
239.6768 343.6509
240.1589 374.7043
240.6410 415.4612
241.1231 473.3477
241.6052 529.0366
242.0873 573.7046
242.5695 598.5854
243.0516 647.7832
243.5337 733.2686
244.0158 836.6479
244.4979 924.2297
244.9800 984.0879
245.4622 1046.975
245.9443 1124.475
246.4264 1224.580
246.9085 1316.781
247.3906 1398.649
247.8727 1473.451
248.3549 1549.250
248.8370 1630.809
249.3191 1706.484
249.8012 1768.276
250.2833 1808.302
250.7654 1854.875
251.2476 1907.583
251.7297 1967.051
252.2118 2035.183
252.6939 2112.971
253.1760 2198.388
253.6581 2291.190
254.1403 2395.247
254.6224 2499.639
255.1045 2604.135
255.5866 2708.369
256.0687 2805.763
256.5508 2883.277
257.0330 2974.317
257.5151 3104.121
257.9972 3291.942
258.4793 3469.822
258.9614 3645.229
259.4435 3809.365
259.9257 3908.224
260.4078 3922.827
260.8899 3903.555
261.3720 3890.273
261.8541 3904.782
262.3362 3863.177
262.8184 3750.473
263.3005 3573.114
263.7826 3362.838
264.2647 3108.769
264.7468 2838.087
265.2289 2563.623
265.7111 2278.842
266.1932 2015.318
266.6753 1770.630
267.1574 1547.885
267.6395 1357.626
268.1216 1205.895
268.6038 1074.537
269.0859 950.1909
269.5680 826.2939
270.0501 722.7080
270.5322 645.1912
271.0143 588.6150
271.4965 541.9829
271.9786 511.9512
272.4607 486.5215
272.9428 454.5745
273.4249 413.2207
273.9070 378.6169
274.3892 355.1106
274.8713 341.6799
275.3534 329.7019
275.8355 318.7866
276.3176 310.8440
276.7997 308.4395
277.2819 312.1216
277.7640 316.2356
278.2461 324.2766
278.7282 334.8442
279.2103 326.5669
279.6924 293.2253
280.1746 255.7888
280.6567 236.2803
281.1388 235.3281
281.6209 245.1401
282.1030 269.5764
282.5851 304.8120
283.0673 322.6790
283.5494 321.2585
284.0315 309.4172
284.5136 293.4492
284.9957 273.1606
285.4778 259.0391
285.9600 257.4541
286.4421 265.4385
286.9242 265.7627
287.4063 256.6794
287.8884 246.8833
288.3705 247.7092
288.8527 258.6240
289.3348 269.9600
289.8169 277.7334
290.2990 283.0791
290.7811 291.2424
291.2632 302.4465
291.7453 314.4658
292.2274 326.4397
292.7096 337.8130
293.1917 344.7146
293.6738 345.0659
294.1559 339.8313
294.6380 330.1450
295.1201 315.2493
295.6023 301.1780
296.0844 296.8245
296.5665 299.7065
297.0486 299.1821
297.5307 287.4336
298.0128 269.9390
298.4950 256.6995
298.9771 247.1614
299.4592 246.5942
299.9413 268.8374
300.4234 305.9353
300.9055 334.8486
301.3877 343.3508
301.8698 338.4971
302.3519 326.8867
302.8340 307.8713
303.3161 293.4126
303.7982 301.4500
304.2804 322.0200
304.7625 333.7007
305.2446 318.2292
305.7267 293.2236
306.2088 277.0508
306.6909 269.6492
307.1731 272.4678
307.6552 300.1013
308.1373 337.2183
308.6194 357.4175
309.1015 331.7036
309.5836 295.9792
310.0658 283.4556
310.5479 294.8823
311.0300 309.2690
311.5121 314.7817
311.9942 314.4666
312.4763 312.3643
312.9585 307.2754
313.4406 303.1240
313.9227 303.7649
314.4048 309.3647
314.8869 313.4751
315.3690 306.9512
315.8512 298.9985
316.3333 300.0588
316.8154 333.4126
317.2975 359.5835
317.7796 351.1897
318.2617 307.8904
318.7439 277.3076
319.2260 292.0977
319.7081 322.8386
320.1902 340.7854
320.6723 324.1611
321.1544 305.3220
321.6366 292.7068
322.1187 287.6299
322.6008 288.1345
323.0829 306.5811
323.5650 325.1367
324.0471 327.4189
324.5293 288.9319
325.0114 257.9116
325.4935 245.0732
325.9756 250.4282
326.4577 259.9744
326.9398 285.5364
327.4220 306.1294
327.9041 307.2456
328.3862 258.9116
328.8683 223.7366
329.3504 214.1650
329.8326 227.9307
330.3147 232.8025
330.7968 217.0681
331.2789 202.3533
331.7610 202.2393
332.2431 234.6064
332.7253 253.7620
333.2074 248.5798
333.6895 224.5725
334.1716 220.5767
334.6537 258.3760
335.1358 290.0554
335.6180 280.0347
336.1001 199.0579
336.5822 149.0154
337.0643 150.0342
337.5464 186.4082
338.0285 193.7129
338.5107 161.1519
338.9928 124.2979
339.4749 102.4353
339.9570 96.33350
340.4391 96.00708
340.9212 105.8169
341.4034 121.0073
341.8855 126.8311
342.3676 121.0923
342.8497 116.6899
343.3318 123.3926
343.8139 141.2368
344.2961 152.6448
344.7782 156.2004
345.2603 153.5918
345.7424 144.0361
346.2245 127.2939
346.7066 116.7021
347.1888 129.7251
347.6709 157.8474
348.1530 163.8774
348.6351 141.4917
349.1172 110.9258
349.5993 97.23657
350.0815 98.25732
350.5636 100.6519
351.0457 94.75732
351.5278 85.73145
352.0099 85.85815
352.4920 96.65283
352.9742 110.7004
353.4563 128.8042
353.9384 144.8357
354.4205 143.2402
354.9026 97.97046
355.3847 41.55322
355.8669 13.41675
356.3490 15.81030
356.8311 24.64526
357.3132 22.65894
357.7953 15.20435
358.2774 10.69604
358.7596 8.547363
359.2417 13.21606
359.7238 33.06982
360.2059 67.50854
360.6880 95.58179
361.1701 106.6763
361.6523 105.7781
362.1344 97.87622
362.6165 73.35254
363.0986 52.86108
363.5807 45.04443
364.0628 48.96411
364.5450 55.55640
365.0271 66.79443
365.5092 77.01660
365.9913 82.29834
366.4734 74.64429
366.9555 69.94214
367.4377 73.65845
367.9198 83.57715
368.4019 88.74072
368.8840 91.40161
369.3661 86.97314
369.8482 72.65210
370.3304 22.98511
370.8125 0.5986330
371.2946 19.93750
371.7767 66.12134
372.2588 85.04590
372.7409 56.77271
373.2230 27.00586
373.7051 14.86279
374.1873 28.76855
374.6694 37.84131
375.1515 43.20508
375.6336 43.15942
376.1157 32.32690
376.5978 4.803467
377.0800 18.87817
377.5621 30.71899
378.0442 30.42896
378.5263 21.45142
379.0084 0.5573730
379.4905 22.09155
379.9727 19.57178
380.4548 9.223145
380.9369 26.63281
381.4190 12.19897
381.9011 24.52979
382.3832 35.72583
382.8654 18.56689
383.3475 4.227295
383.8296 9.661377
384.3117 0.7036130
384.7938 10.22534
385.2759 21.14087
385.7581 30.66528
386.2402 37.10034
386.7223 40.41504
387.2044 38.53345
387.6865 23.67871
388.1686 3.723633
388.6508 6.733154
389.1329 0.2590330
389.6150 10.59595
390.0971 16.30371
390.5792 16.96973
391.0613 12.66528
391.5435 1.864258
392.0256 18.59497
392.5077 31.07056
392.9898 39.29419
393.4719 40.66772
393.9540 25.74170
394.4362 3.154785
394.9183 9.982666
395.4004 1.723633
395.8825 17.16748
396.3646 29.01685
396.8467 38.81787
397.3289 35.35645
397.8110 1.694092
398.2931 48.02271
398.7752 73.07275
399.2573 49.27344
399.7394 26.73706
400.2216 17.26562
400.7037 22.12671
401.1858 28.76050
401.6679 41.25293
402.1500 52.65527
402.6321 57.74414
403.1143 59.40308
403.5964 48.55811
404.0785 14.49512
404.5606 36.35645
405.0427 53.92627
405.5248 24.70020
406.0070 12.27417
406.4891 29.99048
406.9712 26.27051
407.4533 18.69238
407.9354 6.401611
408.4175 6.614746
408.8997 9.110596
409.3818 0.1152340
409.8639 9.482178
410.3460 11.95874
410.8281 8.987549
411.3102 11.00537
411.7924 18.95264
412.2745 30.26025
412.7566 45.55542
413.2387 62.63330
413.7208 72.21069
414.2029 62.00415
414.6851 44.11865
415.1672 38.03296
415.6493 44.27490
416.1314 55.10107
416.6135 69.72705
417.0956 83.51953
417.5778 89.57373
418.0599 82.47803
418.5420 69.34155
419.0241 50.27979
419.5062 27.34839
419.9883 11.96509
420.4705 12.34473
420.9526 21.11841
421.4347 34.27710
421.9168 59.69092
422.3989 77.34717
422.8810 75.95459
423.3632 61.95459
423.8453 52.63916
424.3274 51.40869
424.8095 55.17188
425.2916 64.87964
425.7737 89.92920
426.2559 98.62500
426.7380 76.92627
427.2201 44.45361
427.7022 29.28931
428.1843 44.21875
428.6664 55.91284
429.1486 54.04297
429.6307 37.94849
430.1128 31.25244
430.5949 37.00195
431.0770 47.47656
431.5591 57.85132
432.0413 69.64746
432.5234 70.60498
433.0055 52.61450
433.4876 25.59937
433.9697 23.60596
434.4518 48.07446
434.9340 76.89209
435.4161 98.35913
435.8982 113.1836
436.3803 122.1125
436.8624 124.9082
437.3445 123.4292
437.8267 120.6755
438.3088 116.1206
438.7909 108.9990
439.2730 99.11304
439.7551 88.94922
440.2372 79.15479
440.7194 69.32520
441.2015 66.48120
441.6836 84.40063
442.1657 110.9009
442.6478 128.5076
443.1299 122.2329
443.6121 113.2339
444.0942 113.0688
444.5763 120.6094
445.0584 124.4966
445.5405 106.1125
446.0226 92.15405
446.5048 100.6658
446.9869 174.1760
447.4690 218.9165
447.9511 213.0615
448.4332 171.3655
448.9153 133.2456
449.3975 91.34814
449.8796 60.85718
450.3617 50.70288
450.8438 68.30225
451.3259 76.66284
451.8080 72.02124
452.2902 65.20923
452.7723 71.15991
453.2544 93.58179
453.7365 106.9761
454.2186 103.8469
454.7007 86.57300
455.1828 62.37061
455.6649 30.74707
456.1471 9.516113
456.6292 23.67773
457.1113 65.78027
457.5934 96.24414
458.0755 107.3875
458.5576 106.0979
459.0398 100.2495
459.5219 90.07446
460.0040 76.15698
460.4861 50.11133
460.9682 24.41260
461.4503 16.54956
461.9325 29.68506
462.4146 45.13525
462.8967 62.11548
463.3788 77.44336
463.8609 82.55762
464.3430 51.34155
464.8252 26.37085
465.3073 34.34033
465.7894 72.13965
466.2715 97.26172
466.7536 88.78418
467.2357 72.53955
467.7179 64.05054
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1305.154 0.0000000E+00
